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Compound Detail

CHEMBL370660

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N#CC(CCCN1CC=C(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL370660
Phase Preclinical
Structure Type MOL
InChI Key SBTDSQSUVHMWSP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.0
MW (Da)
6.72
ALogP
2
HBA
0
HBD
27.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27ClN2
MW 426.99
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
16190772 10.1021/jm050418d G-protein coupled receptor homolog US28 2

Data from ChEMBL 36 via Core Engine